Crystallography Open Database

Information card for entry 4065900

Preview

Coordinates	4065900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H72 Cl2 P2 Ru
Calculated formula	C43 H72 Cl2 P2 Ru
SMILES	[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=Cc1ccccc1
Title of publication	Tuning the Steric Properties of a Metathesis Catalyst for Copolymerization of Norbornene and Cyclooctene toward Complete Alternation
Authors of publication	Torker, Sebastian; Müller, Andre; Sigrist, Raphael; Chen, Peter
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2735
a	9.9639 ± 0.0002 Å
b	26.1162 ± 0.0006 Å
c	16.4726 ± 0.0004 Å
α	90°
β	94.2538 ± 0.0012°
γ	90°
Cell volume	4274.68 ± 0.17 Å³
Cell temperature	203 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4065900.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065900.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065900.cif
33722	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065900, 4065901, 4065902, 4065903, 4065904, 4065905, 4065906 via cif-deposit CGI script.	4065900.cif